2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole

C94H75N15O2S — CID 157238479

IUPAC2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole
SMILESCc1ccc2[nH]c3cncnc3c2c1.Cc1ccc2[nH]c3nccnc3c2c1.Cc1ccc2c(c1)[nH]c1cncnc12.Cc1ccc2c(c1)[nH]c1nccnc12.Cc1ccc2c(c1)[nH]c1ncncc12.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1
InChIInChI=1S/2C13H10O.C13H10S.5C11H9N3/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-7-2-3-9-8(4-7)11-10(14-9)5-12-6-13-11;1-7-2-3-8-9-5-12-6-13-11(9)14-10(8)4-7;1-7-2-3-8-9(4-7)14-10-5-12-6-13-11(8)10;1-7-2-3-9-8(6-7)10-11(14-9)13-5-4-12-10;1-7-2-3-8-9(6-7)14-11-10(8)12-4-5-13-11/h3*2-8H,1H3;2-6,14H,1H3;2-6H,1H3,(H,12,13,14);2-6,14H,1H3;2*2-6H,1H3,(H,13,14)
InChIKeyAUXSFGBTUWDDNL-UHFFFAOYSA-N
MW1478.80 g/mol
LogP24.25
Rot. Bonds

About 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole

2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole (PubChem CID 157238479) has the molecular formula C94H75N15O2S and a molecular weight of 1478.80 g/mol. Its IUPAC name is 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole.

Molecular Properties

Compound Name2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole
PubChem CID157238479
Molecular FormulaC94H75N15O2S
Molecular Weight1478.80 g/mol
Exact Mass1477.59
IUPAC Name2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole
SMILESCc1ccc2[nH]c3cncnc3c2c1.Cc1ccc2[nH]c3nccnc3c2c1.Cc1ccc2c(c1)[nH]c1cncnc12.Cc1ccc2c(c1)[nH]c1nccnc12.Cc1ccc2c(c1)[nH]c1ncncc12.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1
InChIInChI=1S/2C13H10O.C13H10S.5C11H9N3/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-7-2-3-9-8(4-7)11-10(14-9)5-12-6-13-11;1-7-2-3-8-9-5-12-6-13-11(9)14-10(8)4-7;1-7-2-3-8-9(4-7)14-10-5-12-6-13-11(8)10;1-7-2-3-9-8(6-7)10-11(14-9)13-5-4-12-10;1-7-2-3-8-9(6-7)14-11-10(8)12-4-5-13-11/h3*2-8H,1H3;2-6,14H,1H3;2-6H,1H3,(H,12,13,14);2-6,14H,1H3;2*2-6H,1H3,(H,13,14)
InChIKeyAUXSFGBTUWDDNL-UHFFFAOYSA-N
XLogP24.25
TPSA234.13 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001478.80
LogP ≤ 524.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole with MolForge

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Related Compounds

tert-butylbenzene;bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine
CID 157716365
[3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-methoxybenzamide;4-[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one
CID 158669593
1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone;[4-(8-amino-1-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone;3-[4-(1H-benzimidazol-2-yl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
CID 159047989
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
1-[4-methyl-3-[(9-methyl-2-pyridin-3-ylpurin-6-yl)amino]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(9-methyl-2-pyridin-4-ylpurin-6-yl)amino]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[(9-methyl-2-pyridin-3-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide;N-[4-methyl-3-[(9-methyl-2-pyridin-3-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(9-methyl-2-thiophen-3-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 161981800
2-(5-tert-butyl-2-methylbenzimidazol-1-yl)-N,N-dimethylethanamine;N,N-dimethyl-2-(6-propan-2-yl-1-benzofuran-3-yl)ethanamine;N,N-dimethyl-2-(6-propan-2-yl-1-benzothiophen-3-yl)ethanamine;N,N-dimethyl-1-(7-propan-2-yl-1,3-dihydro-2-benzothiophen-4-yl)piperidin-4-amine;N,N-dimethyl-1-(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)piperidin-4-amine;N,N-dimethyl-2-(5-propan-2-ylimidazo[4,5-b]pyridin-1-yl)ethanamine;N,N-dimethyl-2-(5-propan-2-ylindol-1-yl)ethanamine;N,N-dimethyl-2-(5-propan-2-ylpyrrolo[3,2-b]pyridin-1-yl)ethanamine;N,N-dimethyl-2-[5-propan-2-yl-2-(trifluoromethyl)benzimidazol-1-yl]ethanamine
CID 167592122
4-[3-[8-[3-[4,6-Bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 57958245
9-[8-[4,6-Di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
CID 57958351
8-[3-[8-[6-Dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58058980
3-[3-[3-[8-Dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole
CID 58059158
6-[3-(8-Dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-9-yl]-9-phenylpyrido[2,3-b]indole
CID 89850115
6-Dibenzofuran-2-yl-9-[3-(6-dibenzofuran-2-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole
CID 90251047

Frequently Asked Questions

What is the IUPAC name of 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole?
The IUPAC name of 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole (CID 157238479) is 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole.
What is the SMILES notation for 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole?
The canonical SMILES for 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole is Cc1ccc2[nH]c3cncnc3c2c1.Cc1ccc2[nH]c3nccnc3c2c1.Cc1ccc2c(c1)[nH]c1cncnc12.Cc1ccc2c(c1)[nH]c1nccnc12.Cc1ccc2c(c1)[nH]c1ncncc12.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1.
What is the InChIKey of 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole?
The InChIKey is AUXSFGBTUWDDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10O.C13H10S.5C11H9N3/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-7-2-3-9-8(4-7)11-10(14-9)5-12-6-13-11;1-7-2-3-8-9-5-12-6-13-11(9)14-10(8)4-7;1-7-2-3-8-9(4-7)14-10-5-12-6-13-11(8)10;1-7-2-3-9-8(6-7)10-11(14-9)13-5-4-12-10;1-7-2-3-8-9(6-7)14-11-10(8)12-4-5-13-11/h3*2-8H,1H3;2-6,14H,1H3;2-6H,1H3,(H,12,13,14);2-6,14H,1H3;2*2-6H,1H3,(H,13,14).
What are the key properties of 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole?
2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole has a molecular weight of 1478.80 g/mol, XLogP of 24.25, 0 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole is sourced from PubChem (CID 157238479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).